Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50123619'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50123619 (CHEMBL3622728) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01
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